[(2S,3S,4R,5S)-3-azido-5-cyano-4-(phenylcarbonyloxy)oxolan-2-yl]methyl benzoate

Systemtic Name: [(2S,3S,4R,5S)-3-azido-5-cyano-4-(phenylcarbonyloxy)oxolan-2-yl]methyl benzoate Openeye Name: [(2S,3S,4R,5S)-3-azido-4-benzoyloxy-5-cyano-tetrahydrofuran-2-yl]methyl benzoate CAS Name: benzoic acid [(2S,3S,4R,5S)-3-azido-4-benzoyloxy-5-cyano-2-oxolanyl]methyl ester IUPAC Name: [(2S,3S,4R,5S)-3-azido-4-benzoyloxy-5-cyanooxolan-2-yl]methyl benzoate Traditional Name: benzoic acid [(2S,3S,4R,5S)-3-azido-4-benzoyloxy-5-cyano-tetrahydrofuran-2-yl]methyl ester Formula: C20H16N4O5 MolecularWeight: 392.36484

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCC2C(C(C(O2)C#N)OC(=O)C3=CC=CC=C3)N=[N+]=[N-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OC[C@@H]2[C@@H]([C@H]([C@@H](O2)C#N)OC(=O)C3=CC=CC=C3)N=[N+]=[N-]

InChI

InChI=1S/C20H16N4O5/c21-11-15-18(29-20(26)14-9-5-2-6-10-14)17(23-24-22)16(28-15)12-27-19(25)13-7-3-1-4-8-13/h1-10,15-18H,12H2/t15-,16+,17-,18-/m0/s1